SCHEMBL2300342

SCHEMBL2300342

CCOC(=O)C(C(=O)OCC)c1cc(F)c([N+](=O)[O-])c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MMP8 P22894 1/20 0.37
GPR174 Q9BXC1 1/20 0.37
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12011132 0.93 MAPT (0.37) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL12403214 0.87 MAPT (0.38) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL2298369 0.81 TDP1 (0.45) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL3676379 0.80 MMP8 (0.42) SMN1; SMN2KMT2AMEN1NPC1MMP8
SCHEMBL25930668 0.78 NPC1 (0.56) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL28526142 0.78 ALDH1A1 (0.47) MAPTSMN1; SMN2ALDH1A1KMT2ANPC1
SCHEMBL2294571 0.78 MMP8 (0.41) MAPTSMN1; SMN2ALDH1A1NPC1CYP1A2
SCHEMBL3658901 0.77 SMN1; SMN2 (0.37) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL4612027 0.77 AKR1C3 (0.39) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL14333301 0.76 HTR2A (0.36) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130261185-A1 Benzamide Derivatives As EP4 Receptor Agonists GLAXO GROUP LIMITED (GB) 2013-10-03 US disclosed
US-20130261185-A1 Benzamide Derivatives As EP4 Receptor Agonists GLAXO GROUP LIMITED (GB) 2013-10-03 US disclosed
US-8314147-B2 Benzamide derivatives as EP4 receptor agonists GLAXO GROUP LIMITED (GB) 2012-11-20 US disclosed
US-8314147-B2 Benzamide derivatives as EP4 receptor agonists GLAXO GROUP LIMITED (GB) 2012-11-20 US disclosed
US-8252833-B2 Benzo (f) isoindol-2-ylphenyl acetic acid derivatives as EP4 receptor agonists GLAXO GROUP LIMITED (GB) 2012-08-28 US disclosed
EP-2457897-A1 BENZO (F) ISOINDOL-2-YLPHENYL ACETIC ACID DERIVATIVES AS EP4 RECEPTOR AGONISTS Glaxo Group Limited (GB) 2012-05-30 EP disclosed
US-20110201663-A1 BENZO (F) ISOINDOL-2-YLPHENYL ACETIC ACID DERIVATIVES AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2011-08-18 US disclosed
US-20110201663-A1 BENZO (F) ISOINDOL-2-YLPHENYL ACETIC ACID DERIVATIVES AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2011-08-18 US disclosed
US-20100022650-A1 Benzamide Derivatives As EP4 Receptor Agonists GLAXO GROUP LIMITED (GB) 2010-01-28 US disclosed
US-20100022650-A1 Benzamide Derivatives As EP4 Receptor Agonists GLAXO GROUP LIMITED (GB) 2010-01-28 US disclosed
US-20080167377-A1 Novel compounds GLAXO GROUP LIMITED (GB) 2008-07-10 US disclosed
WO-2008071736-A1 BENZAMIDE DERIVATIVES AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-06-19 WO disclosed
WO-2007088190-A1 BENZO (F) ISOINDOL-2-YLPHENYL ACETIC ACID DERIVATIVES AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2007-08-09 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080167377-A1 Novel compounds F12, C1R, MRGPRX1 MAPT 2961/4885SMN1; SMN2 979/4885ALDH1A1 2581/4885
US-20110201663-A1 BENZO (F) ISOINDOL-2-YLPHENYL ACETIC ACID DERIVATIVES AS EP4 RECEPTOR AGONISTS PTGER4, PTGER1, PTGER2 MAPT 4512/4885SMN1; SMN2 3750/4885ALDH1A1 449/4885
US-20100022650-A1 Benzamide Derivatives As EP4 Receptor Agonists PTGER4, PTGER1, PTGER3 MAPT 4671/4885SMN1; SMN2 2638/4885ALDH1A1 1228/4885
US-20130261185-A1 Benzamide Derivatives As EP4 Receptor Agonists PTGER4, PTGER1, PTGER3 MAPT 4671/4885SMN1; SMN2 2638/4885ALDH1A1 1228/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.